8OTV

Crystal structure of NUDT14 complexed with novel compound

8OTV の概要

• エントリーDOI: 10.2210/pdb8otv/pdb
• 分子名称: Uridine diphosphate glucose pyrophosphatase NUDT14, 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ... (5 entities in total)
• 機能のキーワード: hydrolase inhibitor, hydrolase, structural genomics, structural genomics consortium, sgc
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 49359.96

構造登録者

Balikci, E.,Feyerherm, C.,Bradshaw, W.,Seupel, R.,Brennan, P.E.,Bountra, C.,von Delft, F.,Huber, K.,Structural Genomics Consortium (SGC) (登録日: 2023-04-21, 公開日: 2024-05-01, 最終更新日: 2024-05-22)

• 主引用文献: Balikci, E.,Marques, A.M.C.,Bauer, L.G.,Seupel, R.,Bennett, J.,Raux, B.,Buchan, K.,Simelis, K.,Singh, U.,Rogers, C.,Ward, J.,Cheng, C.,Szommer, T.,Schutzenhofer, K.,Elkins, J.M.,Sloman, D.L.,Ahel, I.,Fedorov, O.,Brennan, P.E.,Huber, K.V.M.; Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.; J.Med.Chem., 67:7245-7259, 2024; PubMed: 38635563; DOI: 10.1021/acs.jmedchem.4c00072

実験手法

X-RAY DIFFRACTION (1.82 Å)